#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mre s VAL 2 N 0.00 4.55 -0.06 -0.39 0.11 -1.25 -3.17 120.40 120.19 1mre s VAL 2 Ca 0.00 2.05 -0.03 0.00 -2.93 0.00 0.00 61.98 61.08 1mre s VAL 2 Cb 0.00 -4.32 0.04 0.00 -1.53 0.00 0.00 36.38 30.57 1mre s VAL 2 CO 0.00 0.30 0.13 -1.58 -3.33 0.00 0.00 175.10 170.63 1mre s GLN 3 N 0.10 0.05 -0.36 1.54 0.74 -0.91 -4.89 119.66 115.93 1mre s GLN 3 Ca 0.47 0.41 -0.05 0.00 0.05 0.00 0.00 55.36 56.24 1mre s GLN 3 Cb -0.23 -0.24 0.07 0.00 1.10 0.00 0.00 33.01 33.71 1mre s GLN 3 CO 0.29 -0.22 0.13 -0.51 -0.55 0.00 0.00 175.29 174.43 1mre s LEU 4 N 1.57 4.58 -0.28 3.68 1.43 -1.26 -0.83 118.68 127.57 1mre s LEU 4 Ca -0.05 -1.45 -0.17 0.00 -1.03 0.00 0.00 54.13 51.43 1mre s LEU 4 Cb -0.12 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 1mre s LEU 4 CO -0.05 -0.40 0.46 -1.10 0.23 0.00 0.00 176.35 175.48 1mre s GLN 5 N 1.30 3.96 0.54 1.70 -1.52 -0.48 -4.05 119.66 121.11 1mre s GLN 5 Ca 0.01 0.11 0.06 0.00 -1.95 0.00 0.00 55.36 53.58 1mre s GLN 5 Cb -0.21 -3.69 0.03 0.00 -0.22 0.00 0.00 33.01 28.93 1mre s GLN 5 CO -0.00 -0.38 0.40 -0.65 -0.25 0.00 0.00 175.29 174.41 1mre s GLN 6 N 2.23 2.27 0.00 2.91 -0.21 -1.26 -1.88 119.66 123.72 1mre s GLN 6 Ca 0.18 -1.99 0.00 0.00 0.02 0.00 0.00 55.36 53.57 1mre s GLN 6 Cb -0.16 -2.11 0.00 0.00 1.00 0.00 0.00 33.01 31.74 1mre s GLN 6 CO 0.10 -0.59 0.00 0.43 -2.12 0.00 0.00 175.29 173.11 1mre n SER 7 N -1.74 0.00 0.00 5.90 7.64 -1.26 -4.97 113.62 119.18 1mre n SER 7 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1mre n SER 7 Cb 0.64 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 1mre n SER 7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mre n GLY 8 N 2.02 -0.41 3.23 0.23 0.00 -1.26 -4.95 105.19 104.05 1mre n GLY 8 Ca 0.00 0.29 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 1mre n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mre s ALA 9 N 0.00 -0.42 -0.24 4.61 0.00 -1.26 -1.07 121.76 123.38 1mre s ALA 9 Ca 0.00 -0.44 -0.12 0.00 0.00 0.00 0.00 51.96 51.40 1mre s ALA 9 Cb 0.00 0.52 0.08 0.00 0.00 0.00 0.00 23.12 23.72 1mre s ALA 9 CO 0.00 -0.53 0.57 -1.21 0.00 0.00 0.00 175.76 174.58 1mre s GLU 10 N -3.75 0.55 -0.11 0.00 0.41 -0.23 -4.84 118.70 110.73 1mre s GLU 10 Ca 0.04 1.11 -0.01 0.00 -0.41 0.00 0.00 54.97 55.70 1mre s GLU 10 Cb 0.04 0.22 -0.03 0.00 -1.78 0.00 0.00 34.13 32.59 1mre s GLU 10 CO -0.11 -0.17 -0.08 -1.17 -0.49 0.00 0.00 175.26 173.24 1mre s LEU 11 N 1.88 3.07 0.01 1.80 0.20 -1.25 0.01 118.68 124.39 1mre s LEU 11 Ca -0.08 -0.13 -0.07 0.00 0.69 0.00 0.00 54.13 54.53 1mre s LEU 11 Cb -0.08 -1.69 0.00 0.00 -0.43 0.00 0.00 46.19 43.99 1mre s LEU 11 CO -0.17 0.26 0.14 0.68 -0.29 0.00 0.00 176.35 176.97 1mre s VAL 12 N -0.17 0.09 0.41 1.68 -7.23 -0.17 -4.97 120.40 110.04 1mre s VAL 12 Ca 0.02 -0.75 -0.22 0.00 -1.81 0.00 0.00 61.98 59.21 1mre s VAL 12 Cb -0.13 -0.52 -0.10 0.00 0.56 0.00 0.00 36.38 36.19 1mre s VAL 12 CO 0.03 -0.41 0.97 -1.59 -0.31 0.00 0.00 175.10 173.79 1mre s LYS 13 N -1.62 4.24 0.78 4.82 0.00 -1.25 0.93 119.74 127.65 1mre s LYS 13 Ca -0.13 1.26 -0.15 0.00 0.00 0.00 0.00 55.97 56.95 1mre s LYS 13 Cb -0.06 -2.36 0.02 0.00 0.00 0.00 0.00 37.83 35.43 1mre s LYS 13 CO 0.01 -0.03 0.85 -2.30 0.00 0.00 0.00 175.35 173.88 1mre n PRO 14 N -0.32 0.24 -0.12 1.78 -0.02 -1.26 -1.63 135.00 133.67 1mre n PRO 14 Ca 0.06 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1mre n PRO 14 Cb 0.52 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1mre n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mre n GLY 15 N 1.12 1.31 3.20 -1.23 0.00 0.34 -4.88 105.19 105.05 1mre n GLY 15 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1mre n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mre n ALA 16 N 0.59 -1.00 -4.55 4.61 0.00 -0.64 -4.29 120.51 115.23 1mre n ALA 16 Ca 0.00 -1.47 -0.26 0.00 0.00 0.00 0.00 53.44 51.70 1mre n ALA 16 Cb 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.39 1mre n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1mre n SER 17 N -3.56 3.09 -3.57 0.00 3.41 -1.26 -1.60 113.62 110.13 1mre n SER 17 Ca 0.14 -2.80 -0.08 0.00 -0.26 0.00 0.00 58.87 55.87 1mre n SER 17 Cb 0.48 0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.66 1mre n SER 17 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1mre s VAL 18 N -2.48 0.00 -0.13 -3.33 0.11 -0.71 -4.97 120.40 108.90 1mre s VAL 18 Ca 0.02 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.04 1mre s VAL 18 Cb -0.00 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.90 1mre s VAL 18 CO 0.02 0.00 0.07 -0.75 -3.33 0.00 0.00 175.10 171.10 1mre s LYS 19 N -1.99 0.15 0.28 1.54 2.20 -1.26 -0.56 119.74 120.09 1mre s LYS 19 Ca 0.04 0.02 -0.06 0.00 -0.36 0.00 0.00 55.97 55.61 1mre s LYS 19 Cb -0.01 -1.41 -0.05 0.00 -1.51 0.00 0.00 37.83 34.85 1mre s LYS 19 CO -0.04 -0.53 0.55 -0.51 -0.36 0.00 0.00 175.35 174.46 1mre s LEU 20 N 2.09 4.08 0.30 5.43 2.01 0.41 -4.92 118.68 128.09 1mre s LEU 20 Ca 0.03 0.74 0.11 0.00 0.01 0.00 0.00 54.13 55.02 1mre s LEU 20 Cb -0.15 -3.55 -0.05 0.00 0.01 0.00 0.00 46.19 42.45 1mre s LEU 20 CO -0.07 -0.17 -0.15 -0.94 1.01 0.00 0.00 176.35 176.03 1mre s SER 21 N -3.02 3.73 -0.27 2.29 1.04 -1.26 -1.65 113.70 114.55 1mre s SER 21 Ca 0.44 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1mre s SER 21 Cb -0.11 -0.36 0.15 0.00 0.10 0.00 0.00 66.02 65.80 1mre s SER 21 CO 0.29 -0.04 0.39 0.00 0.98 0.00 0.00 173.24 174.86 1mre s LYS 23 N 2.53 4.38 -0.28 0.00 2.20 -0.78 -0.96 119.74 126.83 1mre s LYS 23 Ca 0.11 0.98 -0.10 0.00 -0.36 0.00 0.00 55.97 56.60 1mre s LYS 23 Cb -0.14 -3.51 -0.03 0.00 -1.51 0.00 0.00 37.83 32.64 1mre s LYS 23 CO -0.25 -0.13 0.15 0.00 -0.36 0.00 0.00 175.35 174.75 1mre s ALA 24 N 1.46 3.36 0.47 3.13 0.00 0.64 -1.38 121.76 129.45 1mre s ALA 24 Ca 0.39 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 51.20 1mre s ALA 24 Cb -0.17 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.59 1mre s ALA 24 CO 0.16 -0.61 0.06 0.45 0.00 0.00 0.00 175.76 175.82 1mre s SER 25 N 1.69 3.62 0.00 0.00 0.15 -0.01 -4.74 113.70 114.40 1mre s SER 25 Ca 0.06 -1.68 0.00 0.00 0.70 0.00 0.00 55.95 55.04 1mre s SER 25 Cb -0.16 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1mre s SER 25 CO 0.08 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.23 1mre n GLY 26 N -1.13 0.10 3.76 9.45 0.00 -1.19 -2.13 105.19 114.04 1mre n GLY 26 Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 1mre n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mre s TYR 27 N -1.23 -0.07 -0.87 1.61 1.13 -1.26 -3.76 117.35 112.90 1mre s TYR 27 Ca 0.00 -0.21 -0.25 0.00 -1.41 0.00 0.00 57.07 55.20 1mre s TYR 27 Cb 0.00 0.63 0.03 0.00 -1.10 0.00 0.00 41.96 41.52 1mre s TYR 27 CO 0.00 -0.72 1.48 0.99 -2.51 0.00 0.00 175.55 174.79 1mre s THR 28 N -2.85 3.75 0.27 -3.49 2.01 -1.26 -4.87 115.64 109.20 1mre s THR 28 Ca 0.15 -0.22 0.11 0.00 0.31 0.00 0.00 61.69 62.04 1mre s THR 28 Cb -0.00 -4.79 0.30 0.00 0.01 0.00 0.00 72.50 68.01 1mre s THR 28 CO 0.02 -1.71 1.24 0.33 -0.69 0.00 0.00 174.62 173.80 1mre n PHE 29 N 9.98 0.77 0.28 4.92 7.35 -1.26 -0.25 117.46 139.25 1mre n PHE 29 Ca 0.22 0.93 0.17 0.00 -0.76 0.00 0.00 57.45 58.02 1mre n PHE 29 Cb 0.50 -1.25 0.73 0.00 0.35 0.00 0.00 39.48 39.80 1mre n PHE 29 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1mre h THR 30 N 0.00 0.06 -0.05 -2.13 2.02 -1.92 -3.31 112.91 107.57 1mre h THR 30 Ca 0.60 -0.50 -0.13 0.00 0.77 0.00 0.00 66.41 67.14 1mre h THR 30 Cb 1.48 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 69.35 1mre h THR 30 CO -0.65 0.02 -0.57 0.28 0.37 0.00 0.00 175.52 174.97 1mre h SER 31 N 0.00 0.19 -3.69 4.18 0.02 -1.03 -3.36 113.55 109.87 1mre h SER 31 Ca -0.00 -0.10 -0.61 0.00 -0.84 0.00 0.00 61.79 60.24 1mre h SER 31 Cb 0.47 -0.06 -0.20 0.00 0.14 0.00 0.00 62.40 62.75 1mre h SER 31 CO 0.00 0.72 -0.83 -0.31 -1.14 0.00 0.00 176.83 175.28 1mre s TYR 32 N -3.79 2.06 0.48 3.45 2.02 -1.25 -5.10 117.35 115.22 1mre s TYR 32 Ca -0.03 -0.40 -0.20 0.00 -0.37 0.00 0.00 57.07 56.06 1mre s TYR 32 Cb 0.12 -1.07 -0.09 0.00 -0.40 0.00 0.00 41.96 40.52 1mre s TYR 32 CO 0.78 0.35 1.01 -1.58 -1.57 0.00 0.00 175.55 174.54 1mre s TRP 33 N -1.49 3.11 -0.22 2.71 0.52 -1.26 -4.51 118.94 117.80 1mre s TRP 33 Ca 0.14 1.58 -0.10 0.00 0.02 0.00 0.00 56.10 57.74 1mre s TRP 33 Cb -0.08 -2.98 -0.05 0.00 -1.15 0.00 0.00 33.47 29.20 1mre s TRP 33 CO 0.07 -0.61 0.14 1.41 0.02 0.00 0.00 176.95 177.98 1mre s MET 34 N -3.31 4.12 0.26 4.98 1.75 0.16 -4.57 119.30 122.68 1mre s MET 34 Ca 0.65 -0.25 0.07 0.00 -1.25 0.00 0.00 55.69 54.91 1mre s MET 34 Cb -0.14 -3.48 -0.04 0.00 2.84 0.00 0.00 34.83 34.01 1mre s MET 34 CO 0.19 0.16 0.18 -0.65 -0.65 0.00 0.00 175.02 174.25 1mre s GLN 35 N 0.75 2.85 -0.04 4.11 -1.52 -0.30 -1.16 119.66 124.36 1mre s GLN 35 Ca 0.08 -1.10 -0.00 0.00 -1.95 0.00 0.00 55.36 52.39 1mre s GLN 35 Cb -0.12 -2.52 0.03 0.00 -0.22 0.00 0.00 33.01 30.18 1mre s GLN 35 CO 0.02 0.39 0.00 -1.58 -0.25 0.00 0.00 175.29 173.87 1mre s TRP 36 N -2.16 0.40 0.10 0.91 0.52 -0.91 -1.00 118.94 116.80 1mre s TRP 36 Ca 0.33 -0.03 0.08 0.00 0.02 0.00 0.00 56.10 56.50 1mre s TRP 36 Cb -0.08 -0.51 -0.03 0.00 -1.15 0.00 0.00 33.47 31.70 1mre s TRP 36 CO 0.24 -0.17 -0.20 0.08 0.02 0.00 0.00 176.95 176.92 1mre s VAL 37 N 1.26 1.67 0.04 4.03 1.01 0.76 -0.74 120.40 128.44 1mre s VAL 37 Ca -0.06 -1.53 0.08 0.00 0.00 0.00 0.00 61.98 60.47 1mre s VAL 37 Cb -0.13 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 1mre s VAL 37 CO -0.02 -0.07 -0.22 -0.75 0.00 0.00 0.00 175.10 174.04 1mre s LYS 38 N -1.90 1.94 -0.15 2.72 2.20 0.29 -0.16 119.74 124.68 1mre s LYS 38 Ca 0.06 -1.05 -0.06 0.00 -0.36 0.00 0.00 55.97 54.56 1mre s LYS 38 Cb -0.10 -2.09 0.06 0.00 -1.51 0.00 0.00 37.83 34.19 1mre s LYS 38 CO 0.04 0.53 0.32 -1.14 -0.36 0.00 0.00 175.35 174.74 1mre s GLN 39 N -1.37 0.25 0.08 4.03 0.74 0.06 -1.04 119.66 122.41 1mre s GLN 39 Ca 0.13 0.77 0.06 0.00 0.05 0.00 0.00 55.36 56.37 1mre s GLN 39 Cb -0.10 0.03 -0.04 0.00 1.10 0.00 0.00 33.01 34.00 1mre s GLN 39 CO 0.04 -0.22 -0.07 -0.98 -0.55 0.00 0.00 175.29 173.51 1mre s ARG 40 N 1.99 2.31 0.00 1.67 1.04 -1.26 -0.94 118.95 123.76 1mre s ARG 40 Ca -0.04 -0.93 0.00 0.00 -1.04 0.00 0.00 55.73 53.72 1mre s ARG 40 Cb -0.11 -2.40 0.00 0.00 -2.04 0.00 0.00 34.95 30.40 1mre s ARG 40 CO -0.10 0.53 0.00 -2.30 -0.04 0.00 0.00 175.30 173.39 1mre n PRO 41 N 0.81 0.00 -1.51 3.89 -0.02 -1.26 -2.38 135.00 134.53 1mre n PRO 41 Ca -0.13 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.93 1mre n PRO 41 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.98 1mre n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mre n GLY 42 N -0.86 3.76 0.00 -1.23 0.00 -1.26 -4.84 105.19 100.76 1mre n GLY 42 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1mre n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1mre n GLN 43 N 6.36 0.00 -1.50 1.61 1.13 -1.00 -4.79 117.38 119.19 1mre n GLN 43 Ca 0.52 0.00 -0.56 0.00 -1.94 0.00 0.00 57.00 55.01 1mre n GLN 43 Cb 0.39 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.67 1mre n GLN 43 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1mre n GLY 44 N 0.00 -0.34 3.79 1.08 0.00 -1.26 -4.79 105.19 103.67 1mre n GLY 44 Ca 0.00 0.69 -0.32 0.00 0.00 0.00 0.00 46.02 46.40 1mre n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mre s LEU 45 N 0.43 3.90 -0.06 0.99 1.43 -1.26 -4.00 118.68 120.11 1mre s LEU 45 Ca 0.86 0.09 0.01 0.00 -1.03 0.00 0.00 54.13 54.06 1mre s LEU 45 Cb -1.17 -2.44 0.02 0.00 0.03 0.00 0.00 46.19 42.63 1mre s LEU 45 CO 0.55 0.22 -0.05 -1.61 0.23 0.00 0.00 176.35 175.69 1mre s GLU 46 N -2.11 0.94 0.08 1.70 0.41 -0.21 -4.97 118.70 114.54 1mre s GLU 46 Ca 0.27 -0.12 -0.30 0.00 -0.41 0.00 0.00 54.97 54.41 1mre s GLU 46 Cb -0.12 -0.98 -0.05 0.00 -1.78 0.00 0.00 34.13 31.19 1mre s GLU 46 CO 0.19 -0.12 1.07 -0.46 -0.49 0.00 0.00 175.26 175.45 1mre s TRP 47 N 1.12 3.60 -0.21 1.61 -0.00 -1.26 -0.55 118.94 123.25 1mre s TRP 47 Ca -0.08 1.57 -0.16 0.00 -0.00 0.00 0.00 56.10 57.43 1mre s TRP 47 Cb -0.14 -3.24 -0.08 0.00 -0.00 0.00 0.00 33.47 30.01 1mre s TRP 47 CO -0.01 -0.51 -0.29 -0.89 -0.00 0.00 0.00 176.95 175.25 1mre n ILE 48 N 3.38 1.50 -3.03 5.86 5.41 0.08 -4.74 119.36 127.82 1mre n ILE 48 Ca 0.06 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1mre n ILE 48 Cb 0.48 -2.19 0.00 0.00 -0.71 0.00 0.00 39.64 37.22 1mre n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1mre n GLY 49 N 1.41 -1.07 3.34 7.39 0.00 -1.23 -0.19 105.19 114.85 1mre n GLY 49 Ca -0.27 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 1mre n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mre s GLU 50 N -0.07 0.93 0.01 1.61 -1.05 0.12 -2.14 118.70 118.11 1mre s GLU 50 Ca 0.00 -0.30 0.02 0.00 -0.15 0.00 0.00 54.97 54.54 1mre s GLU 50 Cb 0.00 0.42 -0.01 0.00 -0.44 0.00 0.00 34.13 34.10 1mre s GLU 50 CO 0.00 -0.32 -0.06 -1.50 0.95 0.00 0.00 175.26 174.33 1mre s ILE 51 N -2.35 0.47 -0.45 1.83 2.07 -0.31 -1.12 121.20 121.34 1mre s ILE 51 Ca -0.06 -0.55 -0.17 0.00 -1.41 0.00 0.00 60.65 58.46 1mre s ILE 51 Cb -0.01 -0.45 0.04 0.00 0.13 0.00 0.00 42.46 42.17 1mre s ILE 51 CO -0.01 -0.07 0.43 -0.62 -1.91 0.00 0.00 174.94 172.76 1mre s ASP 52 N -0.67 6.17 0.38 4.50 -1.08 0.11 -0.66 116.67 125.41 1mre s ASP 52 Ca -0.02 -0.97 0.12 0.00 -0.52 0.00 0.00 52.55 51.16 1mre s ASP 52 Cb -0.05 -2.21 0.92 0.00 -1.46 0.00 0.00 42.92 40.12 1mre s ASP 52 CO 0.00 -0.64 1.87 -0.65 0.52 0.00 0.00 175.17 176.28 1mre h PRO 52 N 8.77 0.56 -0.83 4.34 0.11 -1.83 1.74 132.00 144.87 1mre h PRO 52 Ca -0.27 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 1mre h PRO 52 Cb 1.11 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 1mre h PRO 52 CO 0.84 0.37 0.48 0.66 -0.21 0.00 0.00 178.00 180.14 1mre h SER 53 N 0.58 1.01 0.00 -2.05 4.64 -1.90 -3.25 113.55 112.58 1mre h SER 53 Ca 0.44 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1mre h SER 53 Cb 0.84 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1mre h SER 53 CO -0.19 0.80 0.00 -0.90 -0.87 0.00 0.00 176.83 175.67 1mre n ASP 54 N -4.42 1.08 -1.81 4.97 5.68 -1.08 -4.98 116.55 115.99 1mre n ASP 54 Ca 0.08 -1.20 -0.19 0.00 -0.50 0.00 0.00 54.79 52.98 1mre n ASP 54 Cb 0.07 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 39.99 1mre n ASP 54 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1mre n SER 55 N -0.10 -5.13 -4.77 -1.12 2.88 0.59 -4.94 113.62 101.03 1mre n SER 55 Ca 0.00 0.34 -0.37 0.00 -1.33 0.00 0.00 58.87 57.50 1mre n SER 55 Cb 0.09 -4.48 -0.01 0.00 -0.75 0.00 0.00 64.21 59.05 1mre n SER 55 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1mre s TYR 56 N -2.71 2.93 0.21 0.66 6.14 -1.13 -4.70 117.35 118.75 1mre s TYR 56 Ca 0.00 1.54 0.09 0.00 0.64 0.00 0.00 57.07 59.33 1mre s TYR 56 Cb 0.00 -3.39 -0.05 0.00 0.42 0.00 0.00 41.96 38.94 1mre s TYR 56 CO 0.00 -1.47 -0.16 0.99 0.64 0.00 0.00 175.55 175.55 1mre s THR 57 N -1.50 1.90 -0.12 4.34 2.01 -1.26 0.06 115.64 121.07 1mre s THR 57 Ca 0.61 -2.17 -0.05 0.00 0.31 0.00 0.00 61.69 60.39 1mre s THR 57 Cb -0.30 -2.04 0.05 0.00 0.01 0.00 0.00 72.50 70.23 1mre s THR 57 CO 0.36 -0.49 0.26 0.21 -0.69 0.00 0.00 174.62 174.28 1mre s ASN 58 N -3.18 -0.06 0.13 3.53 3.84 -0.28 -5.01 114.94 113.91 1mre s ASN 58 Ca 0.22 0.57 0.07 0.00 0.21 0.00 0.00 52.86 53.93 1mre s ASN 58 Cb -0.03 0.54 -0.04 0.00 -0.55 0.00 0.00 41.25 41.17 1mre s ASN 58 CO 0.08 -0.19 -0.16 -0.31 -2.79 0.00 0.00 177.10 173.73 1mre s TYR 59 N 1.69 1.54 0.21 0.43 2.02 -1.26 0.12 117.35 122.10 1mre s TYR 59 Ca -0.06 -0.52 -0.30 0.00 -0.37 0.00 0.00 57.07 55.82 1mre s TYR 59 Cb -0.11 -0.79 -0.08 0.00 -0.40 0.00 0.00 41.96 40.57 1mre s TYR 59 CO -0.09 0.20 0.95 1.21 -1.57 0.00 0.00 175.55 176.25 1mre s ASN 60 N -2.49 7.61 0.23 2.29 2.47 0.73 -4.94 114.94 120.83 1mre s ASN 60 Ca 0.11 1.91 -0.08 0.00 0.42 0.00 0.00 52.86 55.23 1mre s ASN 60 Cb -0.05 -2.60 0.37 0.00 -1.45 0.00 0.00 41.25 37.51 1mre s ASN 60 CO 0.04 0.11 1.69 0.06 -3.72 0.00 0.00 177.10 175.28 1mre h GLN 61 N 4.49 0.25 0.00 0.43 3.07 -1.94 -1.96 115.11 119.45 1mre h GLN 61 Ca -0.44 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.28 1mre h GLN 61 Cb 1.20 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.71 1mre h GLN 61 CO 0.69 0.17 0.15 1.57 0.09 0.00 0.00 178.83 181.49 1mre h LYS 62 N 0.26 0.00 -0.13 0.06 -0.00 -1.94 0.09 116.57 114.91 1mre h LYS 62 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.01 1mre h LYS 62 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.81 1mre h LYS 62 CO -0.46 0.00 0.00 1.19 -0.00 0.00 0.00 179.45 180.18 1mre n PHE 63 N -2.66 0.17 -0.31 0.07 3.72 -0.76 -4.56 117.46 113.13 1mre n PHE 63 Ca -0.02 -0.42 -0.02 0.00 -0.05 0.00 0.00 57.45 56.95 1mre n PHE 63 Cb 0.19 -0.03 0.11 0.00 -0.94 0.00 0.00 39.48 38.81 1mre n PHE 63 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1mre h LYS 64 N 0.90 1.05 -1.15 -1.08 6.56 -0.73 -1.01 116.57 121.10 1mre h LYS 64 Ca 0.00 -0.06 -0.56 0.00 -1.06 0.00 0.00 60.65 58.97 1mre h LYS 64 Cb 0.54 -0.24 -0.24 0.00 -0.57 0.00 0.00 32.23 31.72 1mre h LYS 64 CO 0.00 0.69 0.72 0.41 -2.06 0.00 0.00 179.45 179.21 1mre n GLY 65 N -1.33 5.21 0.00 3.86 0.00 -1.26 -4.32 105.19 107.34 1mre n GLY 65 Ca 0.11 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1mre n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mre n LYS 66 N -0.55 0.00 -4.36 1.61 4.76 -0.69 -5.05 118.16 113.89 1mre n LYS 66 Ca 0.52 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.73 1mre n LYS 66 Cb 0.71 -0.26 -0.13 0.00 -1.84 0.00 0.00 35.03 33.51 1mre n LYS 66 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1mre s ALA 67 N -1.00 1.62 -0.02 7.82 0.00 -0.47 -4.02 121.76 125.68 1mre s ALA 67 Ca 0.00 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 50.86 1mre s ALA 67 Cb 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.90 1mre s ALA 67 CO 0.00 0.32 -0.03 0.95 0.00 0.00 0.00 175.76 177.00 1mre s THR 68 N -1.06 0.36 0.07 0.00 -4.23 -0.82 -4.80 115.64 105.16 1mre s THR 68 Ca 0.05 -0.09 0.05 0.00 -1.18 0.00 0.00 61.69 60.52 1mre s THR 68 Cb -0.09 -0.38 -0.04 0.00 1.34 0.00 0.00 72.50 73.33 1mre s THR 68 CO 0.03 0.15 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.44 1mre s LEU 69 N 0.54 3.21 0.22 4.79 1.43 -1.26 -1.20 118.68 126.41 1mre s LEU 69 Ca -0.06 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1mre s LEU 69 Cb -0.09 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1mre s LEU 69 CO -0.01 0.21 0.18 0.28 0.23 0.00 0.00 176.35 177.25 1mre s THR 70 N -1.17 0.00 0.24 5.49 -1.32 -0.91 -5.00 115.64 112.98 1mre s THR 70 Ca 0.21 -1.94 -0.12 0.00 -1.21 0.00 0.00 61.69 58.63 1mre s THR 70 Cb -0.11 -2.48 -0.01 0.00 -1.51 0.00 0.00 72.50 68.39 1mre s THR 70 CO 0.13 0.00 0.44 0.54 -2.21 0.00 0.00 174.62 173.52 1mre s VAL 71 N -4.06 0.00 0.01 5.08 0.11 -1.26 -1.45 120.40 118.83 1mre s VAL 71 Ca 0.38 -1.45 0.00 0.00 -2.93 0.00 0.00 61.98 57.97 1mre s VAL 71 Cb 0.06 -2.22 0.00 0.00 -1.53 0.00 0.00 36.38 32.69 1mre s VAL 71 CO 0.13 -0.01 0.00 -0.67 -3.33 0.00 0.00 175.10 171.23 1mre n ASP 72 N -0.37 -2.40 -3.82 3.54 -0.08 -1.26 -4.92 116.55 107.24 1mre n ASP 72 Ca -0.01 0.08 -0.41 0.00 -1.51 0.00 0.00 54.79 52.94 1mre n ASP 72 Cb 0.62 -1.23 -0.04 0.00 2.34 0.00 0.00 41.12 42.81 1mre n ASP 72 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1mre n SER 76 N 0.11 3.07 -4.22 1.67 7.64 -1.26 -4.94 113.62 115.69 1mre n SER 76 Ca 0.00 -2.74 -0.23 0.00 1.01 0.00 0.00 58.87 56.91 1mre n SER 76 Cb 0.00 -1.36 -0.13 0.00 -1.01 0.00 0.00 64.21 61.70 1mre n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1mre s THR 77 N 5.21 1.45 0.06 0.44 2.01 -1.26 -0.26 115.64 123.30 1mre s THR 77 Ca 0.56 -1.20 0.08 0.00 0.31 0.00 0.00 61.69 61.44 1mre s THR 77 Cb 0.12 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 1mre s THR 77 CO 0.07 0.07 -0.22 0.00 -0.69 0.00 0.00 174.62 173.85 1mre s ALA 78 N -0.91 1.85 0.09 7.40 0.00 -0.14 -4.36 121.76 125.70 1mre s ALA 78 Ca 0.05 -1.15 0.04 0.00 0.00 0.00 0.00 51.96 50.90 1mre s ALA 78 Cb -0.09 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 1mre s ALA 78 CO 0.02 0.41 -0.11 0.71 0.00 0.00 0.00 175.76 176.79 1mre s TYR 79 N -0.90 1.11 -0.02 0.00 1.51 -0.53 -0.54 117.35 117.98 1mre s TYR 79 Ca 0.08 -0.59 0.00 0.00 -1.01 0.00 0.00 57.07 55.55 1mre s TYR 79 Cb -0.09 -0.61 0.02 0.00 -0.11 0.00 0.00 41.96 41.17 1mre s TYR 79 CO 0.03 0.03 0.01 1.41 -1.11 0.00 0.00 175.55 175.91 1mre s MET 80 N -2.47 0.09 -0.08 -0.62 1.75 -0.66 -2.13 119.30 115.17 1mre s MET 80 Ca 0.03 0.10 0.04 0.00 -1.25 0.00 0.00 55.69 54.61 1mre s MET 80 Cb -0.05 -0.28 -0.01 0.00 2.84 0.00 0.00 34.83 37.33 1mre s MET 80 CO 0.01 -0.11 -0.19 -1.14 -0.65 0.00 0.00 175.02 172.93 1mre s GLN 81 N 0.81 2.85 0.00 4.11 0.74 -0.34 -0.44 119.66 127.39 1mre s GLN 81 Ca -0.07 -0.80 0.00 0.00 0.05 0.00 0.00 55.36 54.54 1mre s GLN 81 Cb -0.10 -2.36 0.00 0.00 1.10 0.00 0.00 33.01 31.65 1mre s GLN 81 CO -0.02 0.35 0.00 1.28 -0.55 0.00 0.00 175.29 176.35 1mre n LEU 82 N 3.06 0.00 -2.88 3.68 4.77 0.27 -1.94 117.00 123.96 1mre n LEU 82 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1mre n LEU 82 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1mre n LEU 82 CO 0.27 -0.32 0.00 -1.20 -1.33 0.00 0.00 177.39 174.82 1mre n SER 82 N -2.25 0.00 -4.76 -1.43 7.64 -0.82 -1.73 113.62 110.26 1mre n SER 82 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.49 1mre n SER 82 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 1mre n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1mre s LEU 82 N -3.81 4.06 0.23 -3.43 1.43 -0.63 -4.64 118.68 111.89 1mre s LEU 82 Ca 0.00 2.72 0.00 0.00 -1.03 0.00 0.00 54.13 55.83 1mre s LEU 82 Cb 0.00 -4.06 -0.05 0.00 0.03 0.00 0.00 46.19 42.12 1mre s LEU 82 CO 0.00 -1.16 0.10 -0.89 0.23 0.00 0.00 176.35 174.64 1mre s THR 83 N -1.29 0.37 0.61 5.49 2.01 -1.26 -0.50 115.64 121.07 1mre s THR 83 Ca 0.63 -2.00 0.30 0.00 0.31 0.00 0.00 61.69 60.93 1mre s THR 83 Cb -0.39 -2.56 0.36 0.00 0.01 0.00 0.00 72.50 69.91 1mre s THR 83 CO 0.49 -0.03 2.01 0.77 -0.69 0.00 0.00 174.62 177.17 1mre h SER 84 N 2.48 0.00 0.94 3.53 4.64 -1.97 0.45 113.55 123.61 1mre h SER 84 Ca -0.37 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.81 1mre h SER 84 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1mre h SER 84 CO 0.58 0.00 -0.63 -0.33 -0.87 0.00 0.00 176.83 175.59 1mre h GLU 85 N 0.00 0.00 0.00 4.77 3.07 -1.96 -3.00 114.58 117.46 1mre h GLU 85 Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1mre h GLU 85 Cb 0.74 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1mre h GLU 85 CO -0.00 0.63 0.00 -0.25 -1.40 0.00 0.00 179.01 177.99 1mre n ASP 86 N -3.50 0.00 -4.63 1.42 9.92 0.16 -4.62 116.55 115.28 1mre n ASP 86 Ca -0.00 0.48 -0.43 0.00 -0.53 0.00 0.00 54.79 54.32 1mre n ASP 86 Cb 0.69 -0.49 -0.03 0.00 -0.64 0.00 0.00 41.12 40.65 1mre n ASP 86 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1mre s SER 87 N -2.98 6.35 0.05 -2.24 0.01 -1.14 -4.86 113.70 108.89 1mre s SER 87 Ca 0.07 1.79 -0.27 0.00 1.31 0.00 0.00 55.95 58.85 1mre s SER 87 Cb 0.09 -2.53 0.09 0.00 0.21 0.00 0.00 66.02 63.88 1mre s SER 87 CO 0.24 -1.25 1.20 0.00 0.41 0.00 0.00 173.24 173.84 1mre s ALA 88 N 5.23 -2.13 -0.14 1.44 0.00 -0.56 -4.88 121.76 120.72 1mre s ALA 88 Ca 0.75 0.04 -0.12 0.00 0.00 0.00 0.00 51.96 52.63 1mre s ALA 88 Cb -0.28 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.55 1mre s ALA 88 CO 0.30 -1.10 0.24 0.08 0.00 0.00 0.00 175.76 175.28 1mre s VAL 89 N -2.19 5.33 -0.07 0.00 1.01 -0.12 0.13 120.40 124.50 1mre s VAL 89 Ca 0.24 0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.69 1mre s VAL 89 Cb -0.00 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1mre s VAL 89 CO 0.01 0.47 -0.14 -0.31 0.00 0.00 0.00 175.10 175.13 1mre s TYR 90 N -0.06 2.72 -0.00 5.22 2.02 0.24 -0.76 117.35 126.71 1mre s TYR 90 Ca 0.15 -0.26 0.06 0.00 -0.37 0.00 0.00 57.07 56.65 1mre s TYR 90 Cb -0.13 -1.67 -0.02 0.00 -0.40 0.00 0.00 41.96 39.74 1mre s TYR 90 CO 0.04 0.10 -0.20 0.71 -1.57 0.00 0.00 175.55 174.63 1mre s TYR 91 N -0.51 1.76 0.07 2.71 2.02 0.78 -0.38 117.35 123.80 1mre s TYR 91 Ca 0.07 -0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.45 1mre s TYR 91 Cb -0.12 -1.12 -0.04 0.00 -0.40 0.00 0.00 41.96 40.29 1mre s TYR 91 CO 0.02 -0.01 0.09 0.00 -1.57 0.00 0.00 175.55 174.08 1mre s ALA 93 N -1.38 -1.96 -0.47 0.00 0.00 -0.17 -0.64 121.76 117.13 1mre s ALA 93 Ca 0.29 1.67 -0.17 0.00 0.00 0.00 0.00 51.96 53.75 1mre s ALA 93 Cb -0.12 -0.94 0.05 0.00 0.00 0.00 0.00 23.12 22.11 1mre s ALA 93 CO 0.22 -0.28 0.48 -0.80 0.00 0.00 0.00 175.76 175.37 1mre s ASN 94 N -0.82 6.18 -0.89 0.00 0.02 0.11 -1.15 114.94 118.39 1mre s ASN 94 Ca 0.00 -1.00 0.00 0.00 -1.02 0.00 0.00 52.86 50.85 1mre s ASN 94 Cb -0.01 -2.23 0.28 0.00 0.02 0.00 0.00 41.25 39.31 1mre s ASN 94 CO -0.01 -0.70 1.14 0.18 0.02 0.00 0.00 177.10 177.73 1mre n LEU 95 N 5.62 5.21 -3.77 0.60 4.32 -1.26 -0.97 117.00 126.75 1mre n LEU 95 Ca -0.09 -5.31 -0.30 0.00 -0.02 0.00 0.00 56.01 50.29 1mre n LEU 95 Cb 0.45 -1.01 -0.13 0.00 -1.62 0.00 0.00 43.42 41.11 1mre n LEU 95 CO 0.49 1.84 -0.25 -0.60 -1.22 0.00 0.00 177.39 177.65 1mre s ARG 96 N -2.60 1.37 6.97 3.23 3.52 0.09 -5.02 118.95 126.52 1mre s ARG 96 Ca 0.35 -2.03 0.00 0.00 -0.13 0.00 0.00 55.73 53.92 1mre s ARG 96 Cb 0.09 -2.52 0.00 0.00 -1.56 0.00 0.00 34.95 30.95 1mre s ARG 96 CO 0.05 -1.13 0.00 0.41 -0.81 0.00 0.00 175.30 173.82 1mre n GLY 97 N 3.62 2.75 0.29 8.12 0.00 -1.26 -1.74 105.19 116.96 1mre n GLY 97 Ca 0.07 0.24 0.13 0.00 0.00 0.00 0.00 46.02 46.46 1mre n GLY 97 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1mre n TYR 98 N 6.72 0.00 -3.40 1.61 4.11 -1.26 -4.42 117.16 120.53 1mre n TYR 98 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.90 57.46 1mre n TYR 98 Cb 0.00 -0.10 -0.06 0.00 -0.00 0.00 0.00 39.34 39.18 1mre n TYR 98 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.86 176.98 1mre s PHE 99 N -2.40 3.41 -0.18 -3.48 5.36 -0.71 -4.99 117.98 114.99 1mre s PHE 99 Ca 0.27 -1.66 -0.03 0.00 -0.96 0.00 0.00 56.93 54.55 1mre s PHE 99 Cb 0.20 -3.69 0.06 0.00 -0.34 0.00 0.00 43.02 39.24 1mre s PHE 99 CO 0.48 -1.00 0.05 0.34 -1.46 0.00 0.00 175.22 173.63 1mre s ASP 101 N 2.92 2.73 -0.03 6.13 -1.08 -1.24 -0.73 116.67 125.37 1mre s ASP 101 Ca 0.07 -0.74 -0.01 0.00 -0.52 0.00 0.00 52.55 51.35 1mre s ASP 101 Cb -0.25 -0.51 0.03 0.00 -1.46 0.00 0.00 42.92 40.73 1mre s ASP 101 CO -0.01 -0.31 0.05 -0.31 0.52 0.00 0.00 175.17 175.12 1mre s TYR 102 N 1.92 0.04 0.12 -5.34 2.02 -0.14 -4.98 117.35 110.99 1mre s TYR 102 Ca -0.00 0.22 0.04 0.00 -0.37 0.00 0.00 57.07 56.96 1mre s TYR 102 Cb -0.17 -0.36 -0.04 0.00 -0.40 0.00 0.00 41.96 41.00 1mre s TYR 102 CO -0.08 -0.15 0.09 -1.58 -1.57 0.00 0.00 175.55 172.27 1mre s TRP 103 N 1.67 3.14 0.67 2.71 0.52 -1.26 0.06 118.94 126.43 1mre s TRP 103 Ca -0.02 0.02 -0.03 0.00 0.02 0.00 0.00 56.10 56.09 1mre s TRP 103 Cb -0.12 -1.55 0.07 0.00 -1.15 0.00 0.00 33.47 30.72 1mre s TRP 103 CO -0.03 0.52 0.94 0.20 0.02 0.00 0.00 176.95 178.59 1mre s GLY 104 N -2.72 1.76 0.00 0.98 0.00 0.18 -4.65 107.32 102.87 1mre s GLY 104 Ca 0.30 -1.26 0.17 0.00 0.00 0.00 0.00 44.72 43.93 1mre s GLY 104 CO 0.22 -0.84 1.53 -1.06 0.00 0.00 0.00 173.10 172.95 1mre n GLN 105 N -2.74 0.04 0.00 2.90 1.13 -1.26 -4.75 117.38 112.71 1mre n GLN 105 Ca 0.10 0.20 0.00 0.00 -1.94 0.00 0.00 57.00 55.36 1mre n GLN 105 Cb 0.60 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.45 1mre n GLN 105 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1mre n GLY 106 N 0.21 -2.78 3.53 1.08 0.00 -1.26 -4.98 105.19 101.00 1mre n GLY 106 Ca 0.05 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.60 1mre n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mre s THR 107 N -1.53 4.33 0.01 2.61 2.01 0.49 -4.34 115.64 119.23 1mre s THR 107 Ca 0.00 -0.19 -0.29 0.00 0.31 0.00 0.00 61.69 61.52 1mre s THR 107 Cb 0.00 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 1mre s THR 107 CO 0.00 0.44 0.93 -0.89 -0.69 0.00 0.00 174.62 174.41 1mre s THR 108 N 0.69 4.83 -0.29 -0.82 2.01 -0.23 -0.59 115.64 121.23 1mre s THR 108 Ca 0.01 1.95 0.00 0.00 0.31 0.00 0.00 61.69 63.97 1mre s THR 108 Cb -0.14 -4.27 0.06 0.00 0.01 0.00 0.00 72.50 68.16 1mre s THR 108 CO 0.02 0.21 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.90 1mre s LEU 109 N 0.75 3.78 -0.32 4.42 1.98 0.12 -1.06 118.68 128.35 1mre s LEU 109 Ca 0.48 -1.38 -0.07 0.00 -2.89 0.00 0.00 54.13 50.27 1mre s LEU 109 Cb -0.21 -1.64 0.02 0.00 0.66 0.00 0.00 46.19 45.02 1mre s LEU 109 CO 0.27 -0.24 0.10 -0.89 -1.89 0.00 0.00 176.35 173.70 1mre s THR 110 N 1.17 3.99 -0.43 3.68 2.01 0.10 -1.49 115.64 124.67 1mre s THR 110 Ca -0.06 -0.83 -0.17 0.00 0.31 0.00 0.00 61.69 60.93 1mre s THR 110 Cb -0.20 -3.13 0.02 0.00 0.01 0.00 0.00 72.50 69.20 1mre s THR 110 CO -0.03 -0.03 0.44 0.68 -0.69 0.00 0.00 174.62 174.99 1mre s VAL 111 N 1.48 5.08 -0.08 3.82 -7.23 -1.26 -1.00 120.40 121.21 1mre s VAL 111 Ca 0.01 -0.37 -0.23 0.00 -1.81 0.00 0.00 61.98 59.59 1mre s VAL 111 Cb -0.18 -4.05 0.05 0.00 0.56 0.00 0.00 36.38 32.76 1mre s VAL 111 CO 0.03 -0.44 0.52 -0.55 -0.31 0.00 0.00 175.10 174.35 1mre s SER 112 N 1.86 -0.48 0.13 4.85 0.15 0.26 -4.74 113.70 115.74 1mre s SER 112 Ca 0.12 0.61 0.26 0.00 0.70 0.00 0.00 55.95 57.63 1mre s SER 112 Cb -0.17 0.61 0.65 0.00 -1.71 0.00 0.00 66.02 65.40 1mre s SER 112 CO 0.13 -0.45 1.59 -1.54 1.20 0.00 0.00 173.24 174.17 1mre n SER 113 N 1.50 0.66 -4.68 5.45 3.41 -1.26 -3.80 113.62 114.89 1mre n SER 113 Ca -0.18 0.32 -0.36 0.00 -0.26 0.00 0.00 58.87 58.39 1mre n SER 113 Cb 0.56 -0.31 0.08 0.00 -0.26 0.00 0.00 64.21 64.29 1mre n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mre n ALA 114 N -1.75 0.54 -2.33 7.33 0.00 -1.26 -4.98 120.51 118.07 1mre n ALA 114 Ca 0.05 -0.09 -0.41 0.00 0.00 0.00 0.00 53.44 52.99 1mre n ALA 114 Cb 0.42 -2.24 -0.04 0.00 0.00 0.00 0.00 19.45 17.58 1mre n ALA 114 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1mre s LYS 115 N -3.41 4.65 -0.02 0.00 2.36 -1.26 -4.99 119.74 117.08 1mre s LYS 115 Ca 0.79 1.36 -0.30 0.00 -2.55 0.00 0.00 55.97 55.27 1mre s LYS 115 Cb -0.36 -3.38 -0.07 0.00 -1.05 0.00 0.00 37.83 32.97 1mre s LYS 115 CO 0.45 0.21 1.82 0.99 1.55 0.00 0.00 175.35 180.37 1mre s THR 116 N 0.06 3.30 -0.08 3.43 2.01 -1.26 -4.77 115.64 118.32 1mre s THR 116 Ca 0.45 0.36 0.04 0.00 0.31 0.00 0.00 61.69 62.85 1mre s THR 116 Cb -0.23 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.05 1mre s THR 116 CO 0.28 -0.04 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.08 1mre s THR 117 N 4.36 1.78 0.46 -0.82 2.01 0.18 -4.94 115.64 118.68 1mre s THR 117 Ca 0.81 -0.87 -0.22 0.00 0.31 0.00 0.00 61.69 61.72 1mre s THR 117 Cb -0.38 -1.55 -0.08 0.00 0.01 0.00 0.00 72.50 70.51 1mre s THR 117 CO 0.36 0.50 1.08 -2.84 -0.69 0.00 0.00 174.62 173.03 1mre s PRO 118 N 0.29 3.83 0.40 4.92 0.02 -1.26 -0.58 135.00 142.62 1mre s PRO 118 Ca -0.14 1.54 -0.19 0.00 0.02 0.00 0.00 61.00 62.23 1mre s PRO 118 Cb -0.16 -2.28 -0.10 0.00 0.02 0.00 0.00 34.50 31.97 1mre s PRO 118 CO 0.06 -0.43 0.88 -1.25 -0.33 0.00 0.00 177.00 175.93 1mre s PRO 119 N -2.90 4.16 -0.13 5.54 0.04 -1.26 -4.43 135.00 136.02 1mre s PRO 119 Ca 0.64 0.98 -0.11 0.00 0.04 0.00 0.00 61.00 62.56 1mre s PRO 119 Cb -0.22 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 32.02 1mre s PRO 119 CO 0.26 0.03 0.23 -1.12 0.04 0.00 0.00 177.00 176.44 1mre s SER 120 N -2.21 6.44 -0.17 6.66 0.01 0.62 -4.93 113.70 120.11 1mre s SER 120 Ca 0.60 0.52 -0.01 0.00 1.31 0.00 0.00 55.95 58.36 1mre s SER 120 Cb -0.09 -2.14 -0.00 0.00 0.21 0.00 0.00 66.02 63.99 1mre s SER 120 CO 0.14 0.25 -0.13 -0.69 0.41 0.00 0.00 173.24 173.23 1mre s VAL 121 N -0.29 2.83 -0.04 3.43 1.01 -1.26 -0.95 120.40 125.13 1mre s VAL 121 Ca 0.15 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.50 1mre s VAL 121 Cb -0.13 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 1mre s VAL 121 CO 0.04 0.50 -0.25 -0.31 0.00 0.00 0.00 175.10 175.08 1mre s TYR 122 N 0.96 2.41 0.27 5.22 2.02 -0.07 -4.98 117.35 123.19 1mre s TYR 122 Ca -0.02 -0.59 -0.23 0.00 -0.37 0.00 0.00 57.07 55.86 1mre s TYR 122 Cb -0.15 -1.57 -0.09 0.00 -0.40 0.00 0.00 41.96 39.75 1mre s TYR 122 CO -0.02 -0.13 0.84 -1.25 -1.57 0.00 0.00 175.55 173.43 1mre s PRO 123 N -0.35 4.45 -0.25 -1.71 0.04 -1.26 -0.67 135.00 135.24 1mre s PRO 123 Ca 0.02 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.21 1mre s PRO 123 Cb -0.12 -2.86 0.05 0.00 0.04 0.00 0.00 34.50 31.61 1mre s PRO 123 CO 0.02 0.34 -0.11 -0.51 0.04 0.00 0.00 177.00 176.78 1mre s LEU 124 N -1.97 3.30 0.07 -3.56 1.43 0.21 -4.88 118.68 113.29 1mre s LEU 124 Ca 0.46 -1.26 0.08 0.00 -1.03 0.00 0.00 54.13 52.39 1mre s LEU 124 Cb -0.18 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 1mre s LEU 124 CO 0.23 -0.17 -0.21 0.00 0.23 0.00 0.00 176.35 176.43 1mre s ALA 125 N 1.15 1.81 0.66 4.21 0.00 -1.26 -1.12 121.76 127.21 1mre s ALA 125 Ca -0.06 -1.15 -0.17 0.00 0.00 0.00 0.00 51.96 50.58 1mre s ALA 125 Cb -0.19 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 1mre s ALA 125 CO -0.06 0.39 1.15 -0.35 0.00 0.00 0.00 175.76 176.89 1mre n PRO 126 N 1.53 0.89 0.22 0.00 -0.04 -1.26 -5.06 135.00 131.28 1mre n PRO 126 Ca -0.18 0.36 0.11 0.00 -0.04 0.00 0.00 63.50 63.75 1mre n PRO 126 Cb 0.53 -2.38 0.25 0.00 -0.04 0.00 0.00 33.50 31.86 1mre n PRO 126 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1mre h GLY 127 N 0.29 0.00 -4.07 0.55 0.00 -2.00 -3.49 103.07 94.35 1mre h GLY 127 Ca -0.49 0.00 0.09 0.00 0.00 0.00 0.00 47.33 46.93 1mre h GLY 127 CO 0.51 0.00 0.53 -0.51 0.00 0.00 0.00 176.54 177.07 1mre s THR 134 N -3.28 0.00 0.00 4.70 -4.23 -1.26 -5.26 115.64 106.32 1mre s THR 134 Ca 0.05 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 1mre s THR 134 Cb 0.06 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.90 1mre s THR 134 CO 0.66 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.35 1mre n GLY 135 N 0.40 2.93 0.19 3.99 0.00 -1.26 -4.88 105.19 106.57 1mre n GLY 135 Ca -0.09 -1.85 0.08 0.00 0.00 0.00 0.00 46.02 44.15 1mre n GLY 135 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1mre h SER 136 N 0.00 0.00 -4.36 1.61 4.64 -1.99 -3.43 113.55 110.02 1mre h SER 136 Ca 0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 1mre h SER 136 Cb 0.00 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 61.87 1mre h SER 136 CO 0.00 0.27 -0.80 -0.44 -0.87 0.00 0.00 176.83 174.99 1mre s SER 137 N -6.27 2.02 -0.10 4.97 0.01 -1.26 -1.68 113.70 111.39 1mre s SER 137 Ca 0.03 -0.64 0.01 0.00 1.31 0.00 0.00 55.95 56.66 1mre s SER 137 Cb 0.08 -0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.24 1mre s SER 137 CO 0.68 -0.02 -0.12 0.54 0.41 0.00 0.00 173.24 174.73 1mre s VAL 138 N -1.22 1.24 -0.23 3.43 0.11 -0.19 -4.73 120.40 118.81 1mre s VAL 138 Ca 0.01 -0.48 -0.13 0.00 -2.93 0.00 0.00 61.98 58.45 1mre s VAL 138 Cb -0.10 -1.17 -0.04 0.00 -1.53 0.00 0.00 36.38 33.54 1mre s VAL 138 CO 0.03 0.39 0.28 -0.89 -3.33 0.00 0.00 175.10 171.59 1mre s THR 139 N 1.16 5.27 0.42 5.04 2.01 -1.26 -0.78 115.64 127.50 1mre s THR 139 Ca -0.04 0.44 0.07 0.00 0.31 0.00 0.00 61.69 62.47 1mre s THR 139 Cb -0.14 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 1mre s THR 139 CO -0.03 0.28 0.19 -0.76 -0.69 0.00 0.00 174.62 173.61 1mre s LEU 140 N 1.30 3.09 0.31 4.42 1.43 0.21 -4.68 118.68 124.77 1mre s LEU 140 Ca 0.13 -1.09 -0.18 0.00 -1.03 0.00 0.00 54.13 51.96 1mre s LEU 140 Cb -0.14 -1.42 0.03 0.00 0.03 0.00 0.00 46.19 44.68 1mre s LEU 140 CO 0.07 -0.57 0.70 -0.83 0.23 0.00 0.00 176.35 175.95 1mre s GLY 141 N -3.92 0.19 -0.05 -3.19 0.00 -0.27 -1.85 107.32 98.23 1mre s GLY 141 Ca 0.40 -0.56 -0.02 0.00 0.00 0.00 0.00 44.72 44.55 1mre s GLY 141 CO 0.22 -0.26 0.09 0.00 0.00 0.00 0.00 173.10 173.16 1mre s LEU 143 N 1.41 4.21 -0.45 0.00 2.96 0.16 -1.30 118.68 125.66 1mre s LEU 143 Ca -0.06 -0.18 -0.08 0.00 -0.22 0.00 0.00 54.13 53.60 1mre s LEU 143 Cb -0.12 -2.12 0.11 0.00 0.50 0.00 0.00 46.19 44.56 1mre s LEU 143 CO -0.04 -0.12 0.30 -0.69 -1.32 0.00 0.00 176.35 174.48 1mre s VAL 144 N 1.74 3.99 -0.02 1.68 1.01 0.57 -0.90 120.40 128.47 1mre s VAL 144 Ca 0.07 -1.81 0.02 0.00 0.00 0.00 0.00 61.98 60.26 1mre s VAL 144 Cb -0.17 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1mre s VAL 144 CO 0.11 -0.72 -0.07 -0.75 0.00 0.00 0.00 175.10 173.66 1mre s LYS 145 N 1.32 2.63 -0.61 2.72 2.20 -0.12 -1.21 119.74 126.65 1mre s LYS 145 Ca 0.06 -0.66 -0.01 0.00 -0.36 0.00 0.00 55.97 55.00 1mre s LYS 145 Cb -0.25 -2.53 -0.01 0.00 -1.51 0.00 0.00 37.83 33.52 1mre s LYS 145 CO -0.01 0.63 0.52 0.41 -0.36 0.00 0.00 175.35 176.53 1mre n GLY 146 N 1.80 -0.05 3.50 5.54 0.00 -0.29 -0.28 105.19 115.41 1mre n GLY 146 Ca -0.16 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 1mre n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mre s TYR 147 N -3.20 2.18 -0.28 1.61 1.13 -1.00 -4.44 117.35 113.35 1mre s TYR 147 Ca 0.07 -0.69 -0.21 0.00 -1.41 0.00 0.00 57.07 54.83 1mre s TYR 147 Cb -0.01 -1.34 0.12 0.00 -1.10 0.00 0.00 41.96 39.62 1mre s TYR 147 CO 0.39 0.34 0.92 0.12 -2.51 0.00 0.00 175.55 174.81 1mre s PHE 148 N -2.91 -0.64 0.00 -3.49 2.19 0.25 -0.99 117.98 112.40 1mre s PHE 148 Ca 0.33 1.40 0.00 0.00 0.33 0.00 0.00 56.93 58.99 1mre s PHE 148 Cb 0.06 0.39 0.00 0.00 -1.31 0.00 0.00 43.02 42.15 1mre s PHE 148 CO 0.15 -0.31 0.00 -0.35 1.83 0.00 0.00 175.22 176.54 1mre n PRO 149 N 3.06 1.71 -2.41 10.12 -0.04 -1.26 0.50 135.00 146.68 1mre n PRO 149 Ca -0.16 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.98 1mre n PRO 149 Cb 0.57 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.99 1mre n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1mre s GLU 150 N 0.28 3.93 0.00 0.54 0.41 -1.26 -4.79 118.70 117.81 1mre s GLU 150 Ca 0.00 0.99 0.00 0.00 -0.41 0.00 0.00 54.97 55.55 1mre s GLU 150 Cb 0.00 -2.13 0.00 0.00 -1.78 0.00 0.00 34.13 30.22 1mre s GLU 150 CO 0.00 -0.29 0.00 -1.13 -0.49 0.00 0.00 175.26 173.35 1mre n SER 151 N -1.53 1.38 -4.01 -0.19 3.41 -1.26 -4.95 113.62 106.46 1mre n SER 151 Ca 0.07 -0.28 -0.08 0.00 -0.26 0.00 0.00 58.87 58.31 1mre n SER 151 Cb 0.54 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.39 1mre n SER 151 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1mre s VAL 152 N 0.84 0.15 -0.22 -3.33 1.01 -1.26 -4.69 120.40 112.91 1mre s VAL 152 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 60.71 1mre s VAL 152 Cb 0.00 -0.83 0.05 0.00 0.00 0.00 0.00 36.38 35.61 1mre s VAL 152 CO 0.00 -0.70 -0.05 -0.89 0.00 0.00 0.00 175.10 173.46 1mre s THR 153 N -2.55 1.37 -0.22 3.92 2.01 -0.66 -4.96 115.64 114.56 1mre s THR 153 Ca -0.06 -1.03 -0.10 0.00 0.31 0.00 0.00 61.69 60.81 1mre s THR 153 Cb -0.02 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.82 1mre s THR 153 CO -0.05 -0.04 0.13 -0.69 -0.69 0.00 0.00 174.62 173.28 1mre s VAL 154 N 1.48 5.24 0.16 3.82 1.01 -1.26 -1.51 120.40 129.35 1mre s VAL 154 Ca -0.04 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.15 1mre s VAL 154 Cb -0.18 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1mre s VAL 154 CO -0.07 0.40 -0.15 0.42 0.00 0.00 0.00 175.10 175.70 1mre s THR 156 N 0.70 1.55 -0.08 3.92 -4.23 -0.21 -4.95 115.64 112.34 1mre s THR 156 Ca 0.07 -1.92 0.04 0.00 -1.18 0.00 0.00 61.69 58.70 1mre s THR 156 Cb -0.12 -1.76 -0.01 0.00 1.34 0.00 0.00 72.50 71.94 1mre s THR 156 CO 0.01 -0.45 -0.22 0.26 -0.54 0.00 0.00 174.62 173.68 1mre s TRP 157 N -2.40 2.57 -1.51 3.99 0.52 -1.26 0.29 118.94 121.13 1mre s TRP 157 Ca 0.15 -0.78 -0.09 0.00 0.02 0.00 0.00 56.10 55.40 1mre s TRP 157 Cb -0.04 -1.68 0.07 0.00 -1.15 0.00 0.00 33.47 30.67 1mre s TRP 157 CO 0.05 -0.25 0.71 0.09 0.02 0.00 0.00 176.95 177.56 1mre n ASN 162 N 3.19 -2.45 -1.67 2.95 4.13 -0.25 0.05 115.26 121.21 1mre n ASN 162 Ca -0.18 -0.93 -0.18 0.00 1.68 0.00 0.00 54.58 54.98 1mre n ASN 162 Cb 0.52 -3.31 -0.04 0.00 -1.54 0.00 0.00 39.78 35.41 1mre n ASN 162 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1mre n SER 163 N -2.86 -5.14 0.00 6.41 7.64 -1.26 -2.45 113.62 115.97 1mre n SER 163 Ca -0.11 0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1mre n SER 163 Cb 0.59 -4.20 0.00 0.00 -1.01 0.00 0.00 64.21 59.59 1mre n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mre n GLY 164 N -0.91 0.53 0.03 0.23 0.00 0.11 -4.91 105.19 100.28 1mre n GLY 164 Ca -0.19 -0.69 0.11 0.00 0.00 0.00 0.00 46.02 45.25 1mre n GLY 164 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mre n SER 165 N 1.25 0.58 -4.24 1.61 3.41 -1.01 -4.55 113.62 110.66 1mre n SER 165 Ca 0.00 -0.19 -0.43 0.00 -0.26 0.00 0.00 58.87 57.99 1mre n SER 165 Cb 0.00 0.94 -0.05 0.00 -0.26 0.00 0.00 64.21 64.84 1mre n SER 165 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1mre s LEU 166 N -4.06 6.17 0.00 1.04 1.43 -0.99 -4.86 118.68 117.42 1mre s LEU 166 Ca 0.02 -2.85 0.00 0.00 -1.03 0.00 0.00 54.13 50.27 1mre s LEU 166 Cb 0.14 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.28 1mre s LEU 166 CO 0.82 -0.47 0.64 -1.54 0.23 0.00 0.00 176.35 176.03 1mre n SER 167 N 3.65 1.11 0.08 2.29 3.41 -1.26 -4.36 113.62 118.54 1mre n SER 167 Ca 0.13 -1.40 -0.09 0.00 -0.26 0.00 0.00 58.87 57.25 1mre n SER 167 Cb 0.43 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.30 1mre n SER 167 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1mre h SER 168 N 0.00 0.13 -0.28 4.04 4.64 -1.97 -3.36 113.55 116.75 1mre h SER 168 Ca 0.00 -0.13 -0.22 0.00 -0.47 0.00 0.00 61.79 60.97 1mre h SER 168 Cb 0.43 -0.04 -0.22 0.00 -0.31 0.00 0.00 62.40 62.26 1mre h SER 168 CO 0.00 1.04 -0.72 -1.54 -0.87 0.00 0.00 176.83 174.74 1mre n SER 169 N -3.48 2.68 -4.84 4.97 3.41 -1.26 -5.07 113.62 110.03 1mre n SER 169 Ca -0.02 -3.49 -0.36 0.00 -0.26 0.00 0.00 58.87 54.74 1mre n SER 169 Cb 0.90 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 1mre n SER 169 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1mre s VAL 171 N -3.36 4.82 -0.10 -3.33 1.01 -1.26 -3.43 120.40 114.75 1mre s VAL 171 Ca 0.41 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.32 1mre s VAL 171 Cb 0.38 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 33.01 1mre s VAL 171 CO -0.04 0.31 -0.08 -1.00 0.00 0.00 0.00 175.10 174.28 1mre s HIS 172 N -1.40 1.45 -0.29 5.22 3.76 -0.44 -4.98 115.29 118.61 1mre s HIS 172 Ca 0.36 -0.68 -0.07 0.00 -0.15 0.00 0.00 55.06 54.52 1mre s HIS 172 Cb -0.16 -1.18 0.00 0.00 1.11 0.00 0.00 32.58 32.35 1mre s HIS 172 CO 0.19 -0.46 0.08 0.99 -0.85 0.00 0.00 174.74 174.69 1mre s THR 173 N 1.52 4.06 -0.02 1.30 2.01 -1.26 -0.92 115.64 122.32 1mre s THR 173 Ca 0.01 -0.57 -0.18 0.00 0.31 0.00 0.00 61.69 61.27 1mre s THR 173 Cb -0.13 -3.05 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 1mre s THR 173 CO -0.06 0.14 0.49 -0.36 -0.69 0.00 0.00 174.62 174.13 1mre s PHE 174 N 1.53 3.67 0.53 4.92 0.40 -0.60 -5.04 117.98 123.39 1mre s PHE 174 Ca 0.04 1.04 -0.22 0.00 -0.60 0.00 0.00 56.93 57.18 1mre s PHE 174 Cb -0.17 -2.46 -0.05 0.00 0.51 0.00 0.00 43.02 40.85 1mre s PHE 174 CO 0.03 0.44 1.37 -0.35 0.70 0.00 0.00 175.22 177.41 1mre n PRO 175 N 2.53 1.80 -2.37 0.24 -0.04 -1.26 -4.13 135.00 131.77 1mre n PRO 175 Ca -0.10 0.66 -0.39 0.00 -0.04 0.00 0.00 63.50 63.62 1mre n PRO 175 Cb 0.52 -2.59 -0.03 0.00 -0.04 0.00 0.00 33.50 31.36 1mre n PRO 175 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mre s ALA 176 N -1.27 3.29 0.18 0.55 0.00 -1.26 -4.78 121.76 118.48 1mre s ALA 176 Ca 0.70 0.95 0.11 0.00 0.00 0.00 0.00 51.96 53.72 1mre s ALA 176 Cb -0.42 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.29 1mre s ALA 176 CO 0.51 -0.37 -0.25 -0.51 0.00 0.00 0.00 175.76 175.14 1mre s LEU 177 N -2.01 2.41 -0.19 0.00 1.02 -0.09 -4.90 118.68 114.92 1mre s LEU 177 Ca 0.51 -0.84 -0.24 0.00 0.02 0.00 0.00 54.13 53.58 1mre s LEU 177 Cb -0.31 -1.17 -0.02 0.00 0.02 0.00 0.00 46.19 44.70 1mre s LEU 177 CO 0.40 0.13 0.76 -0.22 0.02 0.00 0.00 176.35 177.44 1mre s LEU 178 N -2.54 4.15 -0.20 1.79 2.96 -1.26 -0.95 118.68 122.63 1mre s LEU 178 Ca 0.19 1.03 -0.02 0.00 -0.22 0.00 0.00 54.13 55.11 1mre s LEU 178 Cb -0.08 -3.10 0.06 0.00 0.50 0.00 0.00 46.19 43.56 1mre s LEU 178 CO 0.09 -0.37 0.01 -1.58 -1.32 0.00 0.00 176.35 173.17 1mre s GLN 179 N 2.18 0.93 -1.26 1.98 0.74 0.16 -4.82 119.66 119.56 1mre s GLN 179 Ca 0.34 -0.53 -0.06 0.00 0.05 0.00 0.00 55.36 55.16 1mre s GLN 179 Cb -0.16 -2.16 0.01 0.00 1.10 0.00 0.00 33.01 31.79 1mre s GLN 179 CO 0.11 -0.60 1.08 0.43 -0.55 0.00 0.00 175.29 175.76 1mre n SER 180 N 4.96 -4.82 -1.50 6.67 7.64 -1.26 -1.78 113.62 123.52 1mre n SER 180 Ca -0.10 -0.55 -0.17 0.00 1.01 0.00 0.00 58.87 59.07 1mre n SER 180 Cb 0.47 -4.89 -0.05 0.00 -1.01 0.00 0.00 64.21 58.72 1mre n SER 180 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mre n GLY 183 N -1.68 1.00 3.13 0.23 0.00 -1.26 -4.98 105.19 101.64 1mre n GLY 183 Ca -0.09 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 1mre n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mre s LEU 184 N -4.18 1.18 0.46 0.99 1.02 -0.73 -5.00 118.68 112.42 1mre s LEU 184 Ca 0.00 0.26 -0.15 0.00 0.02 0.00 0.00 54.13 54.25 1mre s LEU 184 Cb 0.00 0.84 -0.08 0.00 0.02 0.00 0.00 46.19 46.97 1mre s LEU 184 CO 0.00 -0.20 0.90 -0.31 0.02 0.00 0.00 176.35 176.76 1mre s TYR 185 N -0.43 3.43 -0.06 0.29 2.02 -0.16 0.35 117.35 122.79 1mre s TYR 185 Ca -0.05 1.35 -0.04 0.00 -0.37 0.00 0.00 57.07 57.96 1mre s TYR 185 Cb -0.04 -2.69 0.03 0.00 -0.40 0.00 0.00 41.96 38.86 1mre s TYR 185 CO 0.01 -0.23 0.15 0.99 -1.57 0.00 0.00 175.55 174.90 1mre s THR 186 N -2.46 -0.02 0.19 -0.71 2.01 -0.12 -1.14 115.64 113.39 1mre s THR 186 Ca 0.57 0.08 -0.10 0.00 0.31 0.00 0.00 61.69 62.54 1mre s THR 186 Cb -0.10 -0.23 -0.01 0.00 0.01 0.00 0.00 72.50 72.18 1mre s THR 186 CO 0.28 0.03 0.34 0.00 -0.69 0.00 0.00 174.62 174.59 1mre s MET 187 N 0.58 1.27 0.05 4.92 0.23 -0.35 -0.91 119.30 125.08 1mre s MET 187 Ca -0.04 -1.18 -0.01 0.00 -1.03 0.00 0.00 55.69 53.43 1mre s MET 187 Cb -0.06 0.41 -0.04 0.00 -1.53 0.00 0.00 34.83 33.61 1mre s MET 187 CO -0.03 -0.49 -0.03 -1.54 -2.03 0.00 0.00 175.02 170.90 1mre s SER 188 N -2.98 0.49 0.01 -1.18 1.04 -1.26 -0.31 113.70 109.51 1mre s SER 188 Ca 0.19 -0.93 0.01 0.00 0.48 0.00 0.00 55.95 55.70 1mre s SER 188 Cb 0.02 0.18 -0.01 0.00 0.10 0.00 0.00 66.02 66.31 1mre s SER 188 CO 0.02 -0.55 -0.04 -0.55 0.98 0.00 0.00 173.24 173.11 1mre s SER 189 N -2.71 0.38 0.11 7.02 0.15 -0.42 -1.56 113.70 116.67 1mre s SER 189 Ca 0.04 -0.28 0.05 0.00 0.70 0.00 0.00 55.95 56.46 1mre s SER 189 Cb 0.05 0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.35 1mre s SER 189 CO -0.08 -0.12 -0.12 -0.94 1.20 0.00 0.00 173.24 173.18 1mre s SER 190 N -0.77 1.73 -0.01 5.45 1.04 -0.10 -0.75 113.70 120.28 1mre s SER 190 Ca -0.06 -0.83 -0.04 0.00 0.48 0.00 0.00 55.95 55.50 1mre s SER 190 Cb -0.05 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1mre s SER 190 CO -0.00 -0.21 0.08 0.54 0.98 0.00 0.00 173.24 174.63 1mre s VAL 191 N -2.36 0.05 -0.10 5.02 0.11 -0.77 -1.33 120.40 121.01 1mre s VAL 191 Ca 0.08 -0.37 0.03 0.00 -2.93 0.00 0.00 61.98 58.79 1mre s VAL 191 Cb -0.03 -0.25 -0.00 0.00 -1.53 0.00 0.00 36.38 34.56 1mre s VAL 191 CO 0.01 -0.21 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.47 1mre s THR 192 N -0.65 2.22 0.19 5.04 2.01 -1.22 -0.62 115.64 122.61 1mre s THR 192 Ca -0.07 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.00 1mre s THR 192 Cb -0.04 -1.86 -0.05 0.00 0.01 0.00 0.00 72.50 70.56 1mre s THR 192 CO 0.00 0.55 -0.03 0.68 -0.69 0.00 0.00 174.62 175.13 1mre s VAL 193 N 0.32 0.99 0.33 3.82 -7.23 0.04 -4.73 120.40 113.94 1mre s VAL 193 Ca -0.17 -2.03 -0.29 0.00 -1.81 0.00 0.00 61.98 57.68 1mre s VAL 193 Cb -0.18 -2.13 -0.12 0.00 0.56 0.00 0.00 36.38 34.52 1mre s VAL 193 CO 0.08 -0.50 1.49 -2.65 -0.31 0.00 0.00 175.10 173.21 1mre n PRO 194 N -0.30 2.53 0.17 4.82 -0.02 -1.26 -1.03 135.00 139.91 1mre n PRO 194 Ca -0.07 0.89 0.13 0.00 -2.02 0.00 0.00 63.50 62.43 1mre n PRO 194 Cb 0.63 -2.61 0.67 0.00 -0.02 0.00 0.00 33.50 32.16 1mre n PRO 194 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1mre h SER 195 N 3.70 0.00 0.60 2.55 0.02 -1.58 -1.17 113.55 117.68 1mre h SER 195 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1mre h SER 195 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1mre h SER 195 CO 0.71 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.86 1mre n SER 196 N -4.45 0.00 0.00 3.07 3.41 -1.26 -3.50 113.62 110.89 1mre n SER 196 Ca 0.01 0.11 0.10 0.00 -0.26 0.00 0.00 58.87 58.84 1mre n SER 196 Cb 0.27 -0.36 -0.05 0.00 -0.26 0.00 0.00 64.21 63.82 1mre n SER 196 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1mre n THR 198 N -1.36 0.01 -4.40 6.66 -2.24 -0.44 -4.67 114.28 107.84 1mre n THR 198 Ca 0.10 -0.04 -0.20 0.00 -2.27 0.00 0.00 64.05 61.64 1mre n THR 198 Cb 0.23 0.77 -0.15 0.00 -2.10 0.00 0.00 70.33 69.08 1mre n THR 198 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1mre s TRP 199 N -3.04 0.95 -2.19 4.78 -0.00 -1.23 -0.48 118.94 117.74 1mre s TRP 199 Ca 0.07 -0.22 0.22 0.00 -0.00 0.00 0.00 56.10 56.17 1mre s TRP 199 Cb 0.16 -0.66 1.02 0.00 -0.00 0.00 0.00 33.47 33.99 1mre s TRP 199 CO 0.84 -0.08 1.69 -0.35 -0.00 0.00 0.00 176.95 179.05 1mre n PRO 200 N 3.17 1.41 -0.30 5.86 -0.04 -1.26 -4.90 135.00 138.93 1mre n PRO 200 Ca -0.17 -0.60 0.14 0.00 -0.04 0.00 0.00 63.50 62.82 1mre n PRO 200 Cb 0.55 -1.38 0.31 0.00 -0.04 0.00 0.00 33.50 32.93 1mre n PRO 200 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1mre h SER 202 N 1.27 0.19 -3.35 3.54 4.64 -1.83 -3.37 113.55 114.64 1mre h SER 202 Ca 0.00 0.17 -0.66 0.00 -0.47 0.00 0.00 61.79 60.84 1mre h SER 202 Cb 0.28 0.19 -0.12 0.00 -0.31 0.00 0.00 62.40 62.44 1mre h SER 202 CO 0.00 -0.08 -0.65 -1.10 -0.87 0.00 0.00 176.83 174.13 1mre s GLN 203 N -5.90 2.64 0.03 4.77 -0.21 0.37 -5.11 119.66 116.26 1mre s GLN 203 Ca -0.12 -0.75 0.01 0.00 0.02 0.00 0.00 55.36 54.51 1mre s GLN 203 Cb 0.26 -2.59 -0.04 0.00 1.00 0.00 0.00 33.01 31.64 1mre s GLN 203 CO 0.78 0.57 0.10 0.95 -2.12 0.00 0.00 175.29 175.56 1mre s THR 204 N -1.24 4.77 0.08 -0.19 -4.23 -1.26 -4.36 115.64 109.22 1mre s THR 204 Ca 0.24 -0.50 0.09 0.00 -1.18 0.00 0.00 61.69 60.34 1mre s THR 204 Cb -0.12 -3.23 -0.04 0.00 1.34 0.00 0.00 72.50 70.46 1mre s THR 204 CO 0.16 0.26 -0.23 0.68 -0.54 0.00 0.00 174.62 174.95 1mre s VAL 205 N -1.29 2.49 -0.01 2.29 -7.23 -1.26 -5.03 120.40 110.36 1mre s VAL 205 Ca 0.26 -1.47 0.01 0.00 -1.81 0.00 0.00 61.98 58.96 1mre s VAL 205 Cb -0.12 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.76 1mre s VAL 205 CO 0.18 0.22 -0.02 -0.89 -0.31 0.00 0.00 175.10 174.28 1mre s THR 206 N -0.98 0.19 -0.12 5.32 2.01 -1.26 -1.80 115.64 119.00 1mre s THR 206 Ca 0.14 -0.06 -0.11 0.00 0.31 0.00 0.00 61.69 61.97 1mre s THR 206 Cb -0.10 -0.19 -0.05 0.00 0.01 0.00 0.00 72.50 72.17 1mre s THR 206 CO 0.06 0.08 0.23 0.00 -0.69 0.00 0.00 174.62 174.29 1mre s SER 209 N -0.39 4.88 -0.20 0.00 0.01 0.14 -1.28 113.70 116.86 1mre s SER 209 Ca 0.16 -0.20 -0.03 0.00 1.31 0.00 0.00 55.95 57.19 1mre s SER 209 Cb -0.13 -1.84 -0.01 0.00 0.21 0.00 0.00 66.02 64.25 1mre s SER 209 CO 0.05 0.05 -0.06 -0.69 0.41 0.00 0.00 173.24 172.99 1mre s VAL 210 N 1.09 3.29 -0.17 3.43 1.01 -0.17 -1.05 120.40 127.83 1mre s VAL 210 Ca 0.03 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1mre s VAL 210 Cb -0.14 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1mre s VAL 210 CO 0.02 0.45 -0.11 0.00 0.00 0.00 0.00 175.10 175.45 1mre s ALA 211 N 1.27 2.63 -0.59 5.51 0.00 -0.57 -1.32 121.76 128.70 1mre s ALA 211 Ca 0.03 -1.05 0.04 0.00 0.00 0.00 0.00 51.96 50.98 1mre s ALA 211 Cb -0.14 -1.38 0.16 0.00 0.00 0.00 0.00 23.12 21.76 1mre s ALA 211 CO -0.02 -0.11 0.42 -1.58 0.00 0.00 0.00 175.76 174.46 1mre s HIS 212 N 0.93 2.66 0.42 0.00 2.46 -0.13 -1.66 115.29 119.99 1mre s HIS 212 Ca -0.02 -2.94 0.17 0.00 0.47 0.00 0.00 55.06 52.73 1mre s HIS 212 Cb -0.15 -2.10 1.07 0.00 -0.13 0.00 0.00 32.58 31.28 1mre s HIS 212 CO -0.01 -0.66 1.88 -1.00 -2.47 0.00 0.00 174.74 172.49 1mre h PRO 213 N 5.64 0.40 -0.53 2.88 0.13 -1.84 -0.68 132.00 137.99 1mre h PRO 213 Ca 0.16 -0.02 0.12 0.00 -0.87 0.00 0.00 66.00 65.38 1mre h PRO 213 Cb 0.82 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.83 1mre h PRO 213 CO 0.59 0.26 0.37 0.00 -0.23 0.00 0.00 178.00 178.99 1mre h ALA 214 N 1.62 2.21 -0.12 -0.56 0.00 -1.93 0.81 119.26 121.29 1mre h ALA 214 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1mre h ALA 214 Cb 1.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1mre h ALA 214 CO -0.15 -0.35 0.00 -1.13 0.00 0.00 0.00 179.25 177.62 1mre n SER 215 N -4.44 3.05 -4.06 0.00 3.41 -0.36 -4.98 113.62 106.24 1mre n SER 215 Ca 0.09 -3.03 -0.39 0.00 -0.26 0.00 0.00 58.87 55.29 1mre n SER 215 Cb 0.45 -0.47 -0.01 0.00 -0.26 0.00 0.00 64.21 63.92 1mre n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1mre n SER 216 N -0.98 -2.75 -4.40 4.04 7.64 0.28 -4.95 113.62 112.49 1mre n SER 216 Ca 0.18 -1.22 -0.30 0.00 1.01 0.00 0.00 58.87 58.54 1mre n SER 216 Cb 0.75 -2.07 -0.14 0.00 -1.01 0.00 0.00 64.21 61.74 1mre n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1mre s THR 217 N -3.76 2.42 -0.25 0.44 2.01 -0.64 -4.98 115.64 110.88 1mre s THR 217 Ca 0.33 -1.39 -0.03 0.00 0.31 0.00 0.00 61.69 60.91 1mre s THR 217 Cb -0.17 -2.00 0.14 0.00 0.01 0.00 0.00 72.50 70.49 1mre s THR 217 CO 0.95 0.29 0.42 -0.89 -0.69 0.00 0.00 174.62 174.71 1mre s THR 218 N -0.91 -0.68 0.11 -0.82 2.01 -1.25 -0.96 115.64 113.14 1mre s THR 218 Ca 0.13 -0.05 0.10 0.00 0.31 0.00 0.00 61.69 62.18 1mre s THR 218 Cb -0.10 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 1mre s THR 218 CO 0.04 -0.09 -0.25 -0.69 -0.69 0.00 0.00 174.62 172.94 1mre s VAL 219 N 2.61 2.05 0.01 3.82 1.01 -0.44 -4.98 120.40 124.48 1mre s VAL 219 Ca 0.14 -1.64 0.08 0.00 0.00 0.00 0.00 61.98 60.56 1mre s VAL 219 Cb -0.15 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1mre s VAL 219 CO -0.17 0.07 -0.24 -1.81 0.00 0.00 0.00 175.10 172.95 1mre s ASP 220 N -1.91 2.87 -0.12 3.32 1.11 -1.26 -1.00 116.67 119.67 1mre s ASP 220 Ca 0.11 -0.49 -0.00 0.00 0.18 0.00 0.00 52.55 52.35 1mre s ASP 220 Cb -0.10 -0.29 0.03 0.00 1.07 0.00 0.00 42.92 43.62 1mre s ASP 220 CO 0.05 0.27 -0.08 -0.75 1.18 0.00 0.00 175.17 175.83 1mre s LYS 221 N -0.82 1.65 -0.09 8.23 2.47 -0.40 -4.99 119.74 125.79 1mre s LYS 221 Ca 0.10 -0.33 -0.19 0.00 -1.56 0.00 0.00 55.97 53.98 1mre s LYS 221 Cb -0.09 -1.72 -0.04 0.00 -1.46 0.00 0.00 37.83 34.51 1mre s LYS 221 CO 0.00 -0.28 0.52 0.21 0.16 0.00 0.00 175.35 175.96 1mre s LYS 222 N 1.66 4.33 -0.23 4.03 2.20 -1.26 -1.26 119.74 129.21 1mre s LYS 222 Ca 0.05 0.55 -0.18 0.00 -0.36 0.00 0.00 55.97 56.03 1mre s LYS 222 Cb -0.13 -3.41 -0.03 0.00 -1.51 0.00 0.00 37.83 32.75 1mre s LYS 222 CO -0.09 0.21 0.50 -0.51 -0.36 0.00 0.00 175.35 175.10 1mre s LEU 223 N 0.43 4.10 0.10 5.43 1.02 -0.74 -4.97 118.68 124.04 1mre s LEU 223 Ca 0.28 0.57 0.07 0.00 0.02 0.00 0.00 54.13 55.07 1mre s LEU 223 Cb -0.16 -2.65 -0.03 0.00 0.02 0.00 0.00 46.19 43.36 1mre s LEU 223 CO 0.13 -0.22 -0.18 -1.61 0.02 0.00 0.00 176.35 174.49 1mre s GLU 226 N 1.93 1.02 0.00 1.70 2.02 -1.26 -4.53 118.70 119.58 1mre s GLU 226 Ca 0.22 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 54.10 1mre s GLU 226 Cb -0.15 -1.16 0.00 0.00 0.10 0.00 0.00 34.13 32.92 1mre s GLU 226 CO 0.09 0.26 0.30 -2.30 0.02 0.00 0.00 175.26 173.63